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27313-86-6 | 6H-Dibenzo[a,g]quinolizin-3-ol, 5,8,13,13a-tetrahydro-2,9,10-trimethoxy-
CAS No: 27313-86-6 Catalog No: AG000UQ6 MDL No:
Product Description
Catalog Number:
AG000UQ6
Chemical Name:
6H-Dibenzo[a,g]quinolizin-3-ol, 5,8,13,13a-tetrahydro-2,9,10-trimethoxy-
CAS Number:
27313-86-6
Molecular Formula:
C20H23NO4
Molecular Weight:
341.4009
IUPAC Name:
2,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
InChI:
InChI=1S/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3
InChI Key:
BMCZTYDZHNTKPR-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc2c1CN1CCc3c(C1C2)cc(c(c3)O)OC
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.407g/mol
Monoisotopic Mass:
341.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| [Resource investigation and quality evaluation on wild Corydalis yanhusuo]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20040501 |
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